2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea

C7H17N5O2 — CID 83121441

IUPAC2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea
SMILESCC(CC(N)=NO)NCCNC(N)=O
InChIInChI=1S/C7H17N5O2/c1-5(4-6(8)12-14)10-2-3-11-7(9)13/h5,10,14H,2-4H2,1H3,(H2,8,12)(H3,9,11,13)
InChIKeyYUNLHTMGNXNVHR-UHFFFAOYSA-N
MW203.25 g/mol
LogP-1.23
Rot. Bonds6

About 2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea

2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea (PubChem CID 83121441) has the molecular formula C7H17N5O2 and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea
PubChem CID83121441
Molecular FormulaC7H17N5O2
Molecular Weight203.25 g/mol
Exact Mass203.14
IUPAC Name2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea
SMILESCC(CC(N)=NO)NCCNC(N)=O
InChIInChI=1S/C7H17N5O2/c1-5(4-6(8)12-14)10-2-3-11-7(9)13/h5,10,14H,2-4H2,1H3,(H2,8,12)(H3,9,11,13)
InChIKeyYUNLHTMGNXNVHR-UHFFFAOYSA-N
XLogP-1.23
TPSA125.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 5-1.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea?
The IUPAC name of 2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea (CID 83121441) is 2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea.
What is the SMILES notation for 2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea?
The canonical SMILES for 2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea is CC(CC(N)=NO)NCCNC(N)=O.
What is the InChIKey of 2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea?
The InChIKey is YUNLHTMGNXNVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5O2/c1-5(4-6(8)12-14)10-2-3-11-7(9)13/h5,10,14H,2-4H2,1H3,(H2,8,12)(H3,9,11,13).
What are the key properties of 2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea?
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea has a molecular weight of 203.25 g/mol, XLogP of -1.23, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea is sourced from PubChem (CID 83121441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).